ROR|A inverse agonist 1
TL;DR: ROR|A inverse agonist 1 (CAS 529500-72-9) is a chemical compound with molecular formula C22H20F3N3O3S and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
Also Known As: ROR, A inverse agonist 1, RORgamma inverse agonist 1, 2-((4-Methyl-N-(3-(trifluoromethyl)phenyl)phenyl)sulfonamido)-N-(pyridin-4-ylmethyl)acetamide, 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
| Molecular Formula | C22H20F3N3O3S |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 3.92052 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.11774 |
| Heavy Atoms | 32 |
| Complexity | 1182.293 |
Chemical Identifiers
| CAS Number | 529500-72-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=NC=C2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
ROR|A inverse agonist 1 (CAS 529500-72-9), with molecular formula C22H20F3N3O3S and molecular weight 463.12 g/mol. IUPAC: 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide.
Chemical Property Profile of ROR|A inverse agonist 1
Property Insights of ROR|A inverse agonist 1
The XLogP value of 3.92052 indicates that ROR|A inverse agonist 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ROR|A inverse agonist 1. Following Lipinski's Rule of Five, ROR|A inverse agonist 1 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ROR|A inverse agonist 1?
The CAS number of ROR|A inverse agonist 1 is 529500-72-9.
What is the molecular formula of ROR|A inverse agonist 1?
The molecular formula of ROR|A inverse agonist 1 is C22H20F3N3O3S.
What is the molecular weight of ROR|A inverse agonist 1?
The molecular weight of ROR|A inverse agonist 1 is 463.12 g/mol.
Where can I buy ROR|A inverse agonist 1?
You can request a quote for ROR|A inverse agonist 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ROR|A inverse agonist 1?
Yes, KEHONG BIO provides custom synthesis services for ROR|A inverse agonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.